Cas no 676591-80-3 (Benzaldehyde, 4-[(4-methylphenyl)sulfinyl]-)
![Benzaldehyde, 4-[(4-methylphenyl)sulfinyl]- structure](https://ossimg.kuujia.com/scimg/677000/676591-80-3x500.png)
676591-80-3 structure
Product Name:Benzaldehyde, 4-[(4-methylphenyl)sulfinyl]-
CAS No:676591-80-3
MF:C14H12O2S
MW:244.308882713318
CID:394362
PubChem ID:11184135
Update Time:2025-04-19
Benzaldehyde, 4-[(4-methylphenyl)sulfinyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-[(4-methylphenyl)sulfinyl]-
- 4-(4-methylphenyl)sulfinylbenzaldehyde
- DTXSID50458032
- 676591-80-3
-
- Inchi： 1S/C14H12O2S/c1-11-2-6-13(7-3-11)17(16)14-8-4-12(10-15)5-9-14/h2-10H,1H3
- InChI Key： YELIWHGBYMEFBJ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C=O)=CC=1)(C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 244.05586
- Monoisotopic Mass: 244.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 274
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 53.4?2
Experimental Properties
- PSA: 34.14
Benzaldehyde, 4-[(4-methylphenyl)sulfinyl]- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
676591-80-3 (Benzaldehyde, 4-[(4-methylphenyl)sulfinyl]-) Related Products
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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